(3-isocyanatocyclohexa-1,3-dien-1-yl)methylbenzene

Systemtic Name: (3-isocyanatocyclohexa-1,3-dien-1-yl)methylbenzene Openeye Name: (3-isocyanatocyclohexa-1,3-dien-1-yl)methylbenzene CAS Name: (3-isocyanato-1-cyclohexa-1,3-dienyl)methylbenzene IUPAC Name: (3-isocyanatocyclohexa-1,3-dien-1-yl)methylbenzene Traditional Name: (3-isocyanatocyclohexa-1,3-dien-1-yl)methylbenzene Formula: C14H13NO MolecularWeight: 211.25912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)N=C=O)CC2=CC=CC=C2

Isomeric SMILES

C1CC(=CC(=C1)N=C=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H13NO/c16-11-15-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-3,5-6,8,10H,4,7,9H2